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114601-91-1

114601-91-1 | Benzoic acid, 2-[[(2-acetylphenyl)amino]carbonyl]-

CAS No: 114601-91-1 Catalog No: AG000ESI MDL No:

Product Description

Catalog Number:
AG000ESI
Chemical Name:
Benzoic acid, 2-[[(2-acetylphenyl)amino]carbonyl]-
CAS Number:
114601-91-1
Molecular Formula:
C16H13NO4
Molecular Weight:
283.2787
IUPAC Name:
2-[(2-acetylphenyl)carbamoyl]benzoic acid
InChI:
InChI=1S/C16H13NO4/c1-10(18)11-6-4-5-9-14(11)17-15(19)12-7-2-3-8-13(12)16(20)21/h2-9H,1H3,(H,17,19)(H,20,21)
InChI Key:
AVEKPYGFPVGVJC-UHFFFAOYSA-N
SMILES:
CC(=O)c1ccccc1NC(=O)c1ccccc1C(=O)O

Properties

Complexity:
421  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.084g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
283.283g/mol
Monoisotopic Mass:
283.084g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  

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